Vinflunine

Vinflunine

SCHEMBL10048181

CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[C@@H](C(C)(F)F)CN(Cc8c6[nH]c6ccccc86)C7)c(OC)cc5N(C)[C@H]4C(O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8

The experimentally established mechanism targets of Vinflunine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A known ✓ P04350 6/20 0.77
TUBB known ✓ P07437 6/20 0.77
TUBA3C known ✓ P0DPH7 6/20 0.77
TUBA1B known ✓ P68363 6/20 0.77
TUBA4A known ✓ P68366 6/20 0.77
TUBB4B known ✓ P68371 6/20 0.77
TUBB3 known ✓ Q13509 6/20 0.77
TUBB2A known ✓ Q13885 6/20 0.77
TUBB8 known ✓ Q3ZCM7 6/20 0.77
TUBA3E known ✓ Q6PEY2 6/20 0.77
TUBA1A known ✓ Q71U36 6/20 0.77
TUBA1C known ✓ Q9BQE3 6/20 0.77
TUBB6 known ✓ Q9BUF5 6/20 0.77
TUBB2B known ✓ Q9BVA1 6/20 0.77
TUBB1 known ✓ Q9H4B7 6/20 0.77
MEN1 O00255 6/20 0.77
KMT2A Q03164 6/20 0.77
CYP3A4 P08684 6/20 0.77
MAPT P10636 5/20 0.77
HIF1A Q16665 4/20 0.77

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Vinflunine SCHEMBL10018503 1.00 TUBB4A (0.77) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Vinflunine SCHEMBL29379199 1.00 TUBB4A (0.77) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Vinflunine SCHEMBL16886954 1.00 TUBB4A (0.77) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Vinflunine SCHEMBL8403 1.00 TUBB4A (0.77) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Vinflunine SCHEMBL19242433 1.00 TUBB4A (0.77) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Vinflunine SCHEMBL16786354 1.00 TUBB4A (0.77) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Vinflunine SCHEMBL21090975 1.00 TUBB4A (0.77) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Vinflunine SCHEMBL21449088 1.00 TUBB4A (0.77) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Vinflunine SCHEMBL21050493 1.00 TUBB4A (0.77) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Vinflunine SCHEMBL16766896 1.00 TUBB4A (0.77) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168647-B2 Vinblastine derivatives, their preparation, use and pharmaceutical compositions comprising the said derivatives SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2012-05-01 US disclosed
US-20100113498-A1 NOVEL VINBLASTINE DERIVATIVES, THEIR PREPARATION, USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAID DERIVATIVES SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2010-05-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100113498-A1 NOVEL VINBLASTINE DERIVATIVES, THEIR PREPARATION, USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAID DERIVATIVES MCL1, BAX, BAD TUBB4A 152/4885TUBB 95/4885TUBA3C 436/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.